N-(2-phenylethyl)thiophen-3-amine

C12H13NS — CID 51050472

IUPACN-(2-phenylethyl)thiophen-3-amine
SMILESc1ccc(CCNc2ccsc2)cc1
InChIInChI=1S/C12H13NS/c1-2-4-11(5-3-1)6-8-13-12-7-9-14-10-12/h1-5,7,9-10,13H,6,8H2
InChIKeyKNJFVOVNXMWLHV-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.40
Rot. Bonds4

About N-(2-phenylethyl)thiophen-3-amine

N-(2-phenylethyl)thiophen-3-amine (PubChem CID 51050472) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(2-phenylethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)thiophen-3-amine
PubChem CID51050472
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC NameN-(2-phenylethyl)thiophen-3-amine
SMILESc1ccc(CCNc2ccsc2)cc1
InChIInChI=1S/C12H13NS/c1-2-4-11(5-3-1)6-8-13-12-7-9-14-10-12/h1-5,7,9-10,13H,6,8H2
InChIKeyKNJFVOVNXMWLHV-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)thiophen-3-amine?
The IUPAC name of N-(2-phenylethyl)thiophen-3-amine (CID 51050472) is N-(2-phenylethyl)thiophen-3-amine.
What is the SMILES notation for N-(2-phenylethyl)thiophen-3-amine?
The canonical SMILES for N-(2-phenylethyl)thiophen-3-amine is c1ccc(CCNc2ccsc2)cc1.
What is the InChIKey of N-(2-phenylethyl)thiophen-3-amine?
The InChIKey is KNJFVOVNXMWLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-4-11(5-3-1)6-8-13-12-7-9-14-10-12/h1-5,7,9-10,13H,6,8H2.
What are the key properties of N-(2-phenylethyl)thiophen-3-amine?
N-(2-phenylethyl)thiophen-3-amine has a molecular weight of 203.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)thiophen-3-amine is sourced from PubChem (CID 51050472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).